SCHEMBL22839983

SCHEMBL22839983

COC(=O)[C@H](CCC(=O)NCCCCN)NC(=O)NCC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.38
▸ SLC6A5 Q9Y345 2/20 0.37
▸ KDM4A O75164 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ TET2 Q6N021 1/20 0.35
▸ DOHH Q9BU89 1/20 0.35
▸ FOLH1 Q04609 1/20 0.34
▸ CAPN1 P07384 1/20 0.34
▸ ITGB3 P05106 6/20 0.34
▸ ITGA2B P08514 6/20 0.34
▸ CPB2 Q96IY4 2/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CPB1 P15086 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11984370 0.90 TDP1 (0.37) TDP1SLC6A5KDM4AHIF1ATET2
SCHEMBL4331941 0.90 TDP1 (0.37) TDP1SLC6A5KDM4AHIF1ATET2
SCHEMBL19519807 0.87 TDP1 (0.44) TDP1SLC6A5KDM4AHIF1ATET2
SCHEMBL23780008 0.85 EPHX2 (0.38) TDP1SLC6A5KDM4AHIF1ATET2
SCHEMBL23780010 0.85 EPHX2 (0.38) TDP1SLC6A5KDM4AHIF1ATET2
SCHEMBL22840058 0.81 TDP1 (0.44) TDP1FOLH1ITGB3ITGA2BCPB2
SCHEMBL20274554 0.81 TDP1 (0.44) TDP1FOLH1ITGB3ITGA2BCPB2
SCHEMBL16010862 0.81 FOLH1 (0.41) TDP1SLC6A5FOLH1ITGB3ITGA2B
SCHEMBL16010863 0.81 FOLH1 (0.41) TDP1SLC6A5FOLH1ITGB3ITGA2B
SCHEMBL18396048 0.81 FOLH1 (0.41) TDP1SLC6A5FOLH1ITGB3ITGA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3335736-B1 HETERODIMERS OF GLUTAMIC ACID MOLECULAR INSIGHT PHARM INC (US) 2020-12-30 — — EP disclosed
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